# Supplementary Information (SI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
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#######################################################################

data_AX2621_Mo
_database_code_depnum_ccdc_archive 'CCDC 2382245'
loop_
_audit_author_name
_audit_author_address
'Peng Yang'
;Leibniz Institute for Catalysis
Germany
;
_audit_update_record             
;
2024-09-06 deposited with the CCDC.	2024-10-16 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2019/1
_shelx_SHELXL_version_number     2019/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C28 H27 N O3'
_chemical_formula_weight         425.50

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   8.8507(6)
_cell_length_b                   29.1696(19)
_cell_length_c                   9.5087(7)
_cell_angle_alpha                90
_cell_angle_beta                 113.4597(13)
_cell_angle_gamma                90
_cell_volume                     2252.0(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    7376
_cell_measurement_theta_min      2.51
_cell_measurement_theta_max      28.31

_exptl_crystal_description       'part of a block'
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.255
_exptl_crystal_F_000             904
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.09
_exptl_absorpt_coefficient_mu    0.081
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.98
_exptl_absorpt_correction_T_max  0.99
_exptl_absorpt_process_details   'SADABS (Bruker, 2014)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean 8.3333
_diffrn_reflns_number            41999
_diffrn_reflns_av_unetI/netI     0.0318
_diffrn_reflns_av_R_equivalents  0.0449
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_k_max       39
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         2.437
_diffrn_reflns_theta_max         28.755
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             5843
_reflns_number_gt                4183
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'APEX2 (Bruker, 2014)'
_computing_cell_refinement       'SAINT (Bruker, 2013)'
_computing_data_reduction        SAINT
_computing_structure_solution    'SHELXT (Sheldrick, 2015a)'
_computing_structure_refinement  'SHELXL-2019/1 (Sheldrick, 2015b)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0487P)²+0.4441P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         5843
_refine_ls_number_parameters     290
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0685
_refine_ls_R_factor_gt           0.0430
_refine_ls_wR_factor_ref         0.1116
_refine_ls_wR_factor_gt          0.0989
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_restrained_S_all      1.022
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.38402(16) 0.29917(5) 0.33289(16) 0.0321(3) Uani 1 1 d . . . . .
H1A H 0.293193 0.281676 0.255132 0.039 Uiso 1 1 calc R U . . .
H1B H 0.420382 0.281932 0.430509 0.039 Uiso 1 1 calc R U . . .
C2 C 0.52625(14) 0.30184(4) 0.28271(13) 0.0274(3) Uani 1 1 d . . . . .
C3 C 0.58958(15) 0.34280(5) 0.25592(15) 0.0322(3) Uani 1 1 d . . . . .
H3 H 0.548325 0.371008 0.276028 0.039 Uiso 1 1 calc R U . . .
C4 C 0.71307(16) 0.34313(5) 0.19984(16) 0.0375(3) Uani 1 1 d . . . . .
H4 H 0.754359 0.371487 0.180926 0.045 Uiso 1 1 calc R U . . .
C5 C 0.77559(17) 0.30248(6) 0.17167(17) 0.0424(4) Uani 1 1 d . . . . .
H5 H 0.858950 0.302667 0.132447 0.051 Uiso 1 1 calc R U . . .
C6 C 0.71556(19) 0.26144(6) 0.20118(19) 0.0460(4) Uani 1 1 d . . . . .
H6 H 0.759180 0.233306 0.183503 0.055 Uiso 1 1 calc R U . . .
C7 C 0.59226(17) 0.26102(5) 0.25635(17) 0.0378(3) Uani 1 1 d . . . . .
H7 H 0.552398 0.232576 0.276374 0.045 Uiso 1 1 calc R U . . .
C8 C 0.38037(15) 0.36097(5) 0.51142(14) 0.0312(3) Uani 1 1 d . . . . .
H8A H 0.362482 0.394519 0.508968 0.037 Uiso 1 1 calc R U . . .
H8B H 0.500415 0.355386 0.562200 0.037 Uiso 1 1 calc R U . . .
C9 C 0.29641(15) 0.33877(4) 0.60566(14) 0.0280(3) Uani 1 1 d . . . . .
C10 C 0.15654(15) 0.31157(5) 0.53989(15) 0.0316(3) Uani 1 1 d . . . . .
H10 H 0.113575 0.305419 0.432974 0.038 Uiso 1 1 calc R U . . .
C11 C 0.07905(17) 0.29331(5) 0.62863(16) 0.0356(3) Uani 1 1 d . . . . .
H11 H -0.016562 0.274877 0.582242 0.043 Uiso 1 1 calc R U . . .
C12 C 0.14085(18) 0.30191(5) 0.78451(16) 0.0386(3) Uani 1 1 d . . . . .
H12 H 0.087005 0.289828 0.845142 0.046 Uiso 1 1 calc R U . . .
C13 C 0.28192(18) 0.32830(5) 0.85176(16) 0.0397(3) Uani 1 1 d . . . . .
H13 H 0.325523 0.333940 0.959000 0.048 Uiso 1 1 calc R U . . .
C14 C 0.35947(17) 0.34644(5) 0.76344(14) 0.0344(3) Uani 1 1 d . . . . .
H14 H 0.456490 0.364267 0.810678 0.041 Uiso 1 1 calc R U . . .
C15 C 0.20083(14) 0.36354(4) 0.23181(14) 0.0274(3) Uani 1 1 d . . . . .
C16 C 0.13333(14) 0.40990(5) 0.24524(14) 0.0298(3) Uani 1 1 d . . . . .
C17 C 0.05514(17) 0.41824(5) 0.33555(17) 0.0400(3) Uani 1 1 d . . . . .
H17A H 0.039285 0.394318 0.396094 0.048 Uiso 1 1 calc R U . . .
H17B H 0.014825 0.448165 0.339881 0.048 Uiso 1 1 calc R U . . .
C18 C 0.14119(15) 0.44467(5) 0.12986(16) 0.0342(3) Uani 1 1 d . . . . .
H18A H 0.077121 0.433076 0.024993 0.041 Uiso 1 1 calc R U . . .
H18B H 0.089605 0.473637 0.142442 0.041 Uiso 1 1 calc R U . . .
C19 C 0.31480(15) 0.45425(5) 0.14777(14) 0.0308(3) Uani 1 1 d . . . . .
H19 H 0.371573 0.430235 0.121877 0.037 Uiso 1 1 calc R U . . .
C20 C 0.39593(14) 0.49337(4) 0.19664(13) 0.0274(3) Uani 1 1 d . . . . .
C21 C 0.32462(14) 0.53351(4) 0.24624(14) 0.0281(3) Uani 1 1 d . . . . .
C22 C 0.30494(15) 0.53209(5) 0.38453(16) 0.0339(3) Uani 1 1 d . . . . .
H22 H 0.340590 0.505868 0.448600 0.041 Uiso 1 1 calc R U . . .
C23 C 0.23375(16) 0.56859(5) 0.42966(17) 0.0391(3) Uani 1 1 d . . . . .
H23 H 0.223055 0.567574 0.525137 0.047 Uiso 1 1 calc R U . . .
C24 C 0.17846(16) 0.60644(5) 0.33525(18) 0.0418(4) Uani 1 1 d . . . . .
H24 H 0.128176 0.631237 0.365091 0.050 Uiso 1 1 calc R U . . .
C25 C 0.19648(16) 0.60812(5) 0.19742(17) 0.0413(3) Uani 1 1 d . . . . .
H25 H 0.157861 0.634057 0.132459 0.050 Uiso 1 1 calc R U . . .
C26 C 0.27061(15) 0.57217(5) 0.15346(15) 0.0338(3) Uani 1 1 d . . . . .
H26 H 0.284659 0.573900 0.059622 0.041 Uiso 1 1 calc R U . . .
C27 C 0.56802(15) 0.49577(4) 0.20375(14) 0.0292(3) Uani 1 1 d . . . . .
C28 C 0.80662(15) 0.54153(5) 0.27080(18) 0.0402(3) Uani 1 1 d . . . . .
H28A H 0.880487 0.523497 0.358045 0.060 Uiso 1 1 calc R U . . .
H28B H 0.838183 0.573924 0.286777 0.060 Uiso 1 1 calc R U . . .
H28C H 0.814791 0.530662 0.176552 0.060 Uiso 1 1 calc R U . . .
N1 N 0.32061(12) 0.34388(4) 0.35441(12) 0.0282(2) Uani 1 1 d . . . . .
O1 O 0.14807(12) 0.34514(3) 0.10483(10) 0.0386(2) Uani 1 1 d . . . . .
O2 O 0.63768(12) 0.46518(3) 0.16831(13) 0.0427(3) Uani 1 1 d . . . . .
O3 O 0.63861(10) 0.53635(3) 0.25753(11) 0.0345(2) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 N1 1.4660(16) . ?
C1 C2 1.5155(17) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 C3 1.3859(18) . ?
C2 C7 1.3923(19) . ?
C3 C4 1.3940(18) . ?
C3 H3 0.9500 . ?
C4 C5 1.379(2) . ?
C4 H4 0.9500 . ?
C5 C6 1.383(2) . ?
C5 H5 0.9500 . ?
C6 C7 1.386(2) . ?
C6 H6 0.9500 . ?
C7 H7 0.9500 . ?
C8 N1 1.4590(16) . ?
C8 C9 1.5182(18) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 C10 1.3917(18) . ?
C9 C14 1.3949(17) . ?
C10 C11 1.3880(18) . ?
C10 H10 0.9500 . ?
C11 C12 1.383(2) . ?
C11 H11 0.9500 . ?
C12 C13 1.387(2) . ?
C12 H12 0.9500 . ?
C13 C14 1.384(2) . ?
C13 H13 0.9500 . ?
C14 H14 0.9500 . ?
C15 O1 1.2310(15) . ?
C15 N1 1.3520(16) . ?
C15 C16 1.5041(18) . ?
C16 C17 1.3225(19) . ?
C16 C18 1.5160(19) . ?
C17 H17A 0.9500 . ?
C17 H17B 0.9500 . ?
C18 C19 1.5033(17) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 C20 1.3297(18) . ?
C19 H19 0.9500 . ?
C20 C21 1.4928(18) . ?
C20 C27 1.4991(17) . ?
C21 C26 1.3938(18) . ?
C21 C22 1.3941(18) . ?
C22 C23 1.3895(19) . ?
C22 H22 0.9500 . ?
C23 C24 1.383(2) . ?
C23 H23 0.9500 . ?
C24 C25 1.383(2) . ?
C24 H24 0.9500 . ?
C25 C26 1.387(2) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
C27 O2 1.2064(15) . ?
C27 O3 1.3411(16) . ?
C28 O3 1.4493(15) . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 C1 C2 114.23(10) . . ?
N1 C1 H1A 108.7 . . ?
C2 C1 H1A 108.7 . . ?
N1 C1 H1B 108.7 . . ?
C2 C1 H1B 108.7 . . ?
H1A C1 H1B 107.6 . . ?
C3 C2 C7 118.35(12) . . ?
C3 C2 C1 123.34(11) . . ?
C7 C2 C1 118.26(11) . . ?
C2 C3 C4 120.82(13) . . ?
C2 C3 H3 119.6 . . ?
C4 C3 H3 119.6 . . ?
C5 C4 C3 120.32(13) . . ?
C5 C4 H4 119.8 . . ?
C3 C4 H4 119.8 . . ?
C4 C5 C6 119.24(13) . . ?
C4 C5 H5 120.4 . . ?
C6 C5 H5 120.4 . . ?
C5 C6 C7 120.55(14) . . ?
C5 C6 H6 119.7 . . ?
C7 C6 H6 119.7 . . ?
C6 C7 C2 120.69(13) . . ?
C6 C7 H7 119.7 . . ?
C2 C7 H7 119.7 . . ?
N1 C8 C9 113.26(10) . . ?
N1 C8 H8A 108.9 . . ?
C9 C8 H8A 108.9 . . ?
N1 C8 H8B 108.9 . . ?
C9 C8 H8B 108.9 . . ?
H8A C8 H8B 107.7 . . ?
C10 C9 C14 118.57(12) . . ?
C10 C9 C8 122.34(11) . . ?
C14 C9 C8 119.09(12) . . ?
C11 C10 C9 120.80(12) . . ?
C11 C10 H10 119.6 . . ?
C9 C10 H10 119.6 . . ?
C12 C11 C10 120.09(13) . . ?
C12 C11 H11 120.0 . . ?
C10 C11 H11 120.0 . . ?
C11 C12 C13 119.60(13) . . ?
C11 C12 H12 120.2 . . ?
C13 C12 H12 120.2 . . ?
C14 C13 C12 120.34(13) . . ?
C14 C13 H13 119.8 . . ?
C12 C13 H13 119.8 . . ?
C13 C14 C9 120.57(13) . . ?
C13 C14 H14 119.7 . . ?
C9 C14 H14 119.7 . . ?
O1 C15 N1 121.45(12) . . ?
O1 C15 C16 117.84(11) . . ?
N1 C15 C16 120.65(11) . . ?
C17 C16 C15 123.29(12) . . ?
C17 C16 C18 122.23(13) . . ?
C15 C16 C18 113.95(11) . . ?
C16 C17 H17A 120.0 . . ?
C16 C17 H17B 120.0 . . ?
H17A C17 H17B 120.0 . . ?
C19 C18 C16 112.44(10) . . ?
C19 C18 H18A 109.1 . . ?
C16 C18 H18A 109.1 . . ?
C19 C18 H18B 109.1 . . ?
C16 C18 H18B 109.1 . . ?
H18A C18 H18B 107.8 . . ?
C20 C19 C18 125.77(12) . . ?
C20 C19 H19 117.1 . . ?
C18 C19 H19 117.1 . . ?
C19 C20 C21 123.10(11) . . ?
C19 C20 C27 116.96(12) . . ?
C21 C20 C27 119.93(11) . . ?
C26 C21 C22 118.75(12) . . ?
C26 C21 C20 121.07(12) . . ?
C22 C21 C20 120.12(11) . . ?
C23 C22 C21 120.71(13) . . ?
C23 C22 H22 119.6 . . ?
C21 C22 H22 119.6 . . ?
C24 C23 C22 119.86(14) . . ?
C24 C23 H23 120.1 . . ?
C22 C23 H23 120.1 . . ?
C25 C24 C23 119.93(13) . . ?
C25 C24 H24 120.0 . . ?
C23 C24 H24 120.0 . . ?
C24 C25 C26 120.37(13) . . ?
C24 C25 H25 119.8 . . ?
C26 C25 H25 119.8 . . ?
C25 C26 C21 120.35(13) . . ?
C25 C26 H26 119.8 . . ?
C21 C26 H26 119.8 . . ?
O2 C27 O3 123.16(11) . . ?
O2 C27 C20 125.17(12) . . ?
O3 C27 C20 111.66(10) . . ?
O3 C28 H28A 109.5 . . ?
O3 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
O3 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C15 N1 C8 125.29(11) . . ?
C15 N1 C1 118.00(10) . . ?
C8 N1 C1 116.35(10) . . ?
C27 O3 C28 115.55(10) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N1 C1 C2 C3 -1.33(18) . . . . ?
N1 C1 C2 C7 -178.69(11) . . . . ?
C7 C2 C3 C4 1.79(19) . . . . ?
C1 C2 C3 C4 -175.57(12) . . . . ?
C2 C3 C4 C5 -0.7(2) . . . . ?
C3 C4 C5 C6 -0.7(2) . . . . ?
C4 C5 C6 C7 0.9(2) . . . . ?
C5 C6 C7 C2 0.2(2) . . . . ?
C3 C2 C7 C6 -1.5(2) . . . . ?
C1 C2 C7 C6 175.98(13) . . . . ?
N1 C8 C9 C10 -11.31(18) . . . . ?
N1 C8 C9 C14 169.84(11) . . . . ?
C14 C9 C10 C11 1.5(2) . . . . ?
C8 C9 C10 C11 -177.38(12) . . . . ?
C9 C10 C11 C12 -0.2(2) . . . . ?
C10 C11 C12 C13 -1.0(2) . . . . ?
C11 C12 C13 C14 0.8(2) . . . . ?
C12 C13 C14 C9 0.5(2) . . . . ?
C10 C9 C14 C13 -1.6(2) . . . . ?
C8 C9 C14 C13 177.28(12) . . . . ?
O1 C15 C16 C17 119.92(15) . . . . ?
N1 C15 C16 C17 -62.84(17) . . . . ?
O1 C15 C16 C18 -51.89(15) . . . . ?
N1 C15 C16 C18 125.35(12) . . . . ?
C17 C16 C18 C19 126.42(14) . . . . ?
C15 C16 C18 C19 -61.67(15) . . . . ?
C16 C18 C19 C20 -111.28(15) . . . . ?
C18 C19 C20 C21 2.1(2) . . . . ?
C18 C19 C20 C27 -179.16(11) . . . . ?
C19 C20 C21 C26 -105.34(15) . . . . ?
C27 C20 C21 C26 75.93(15) . . . . ?
C19 C20 C21 C22 72.09(16) . . . . ?
C27 C20 C21 C22 -106.64(14) . . . . ?
C26 C21 C22 C23 -0.38(18) . . . . ?
C20 C21 C22 C23 -177.87(11) . . . . ?
C21 C22 C23 C24 1.36(19) . . . . ?
C22 C23 C24 C25 -1.0(2) . . . . ?
C23 C24 C25 C26 -0.4(2) . . . . ?
C24 C25 C26 C21 1.37(19) . . . . ?
C22 C21 C26 C25 -0.98(18) . . . . ?
C20 C21 C26 C25 176.48(11) . . . . ?
C19 C20 C27 O2 0.25(19) . . . . ?
C21 C20 C27 O2 179.05(12) . . . . ?
C19 C20 C27 O3 -178.70(11) . . . . ?
C21 C20 C27 O3 0.10(16) . . . . ?
O1 C15 N1 C8 -174.22(11) . . . . ?
C16 C15 N1 C8 8.64(18) . . . . ?
O1 C15 N1 C1 -1.37(17) . . . . ?
C16 C15 N1 C1 -178.51(10) . . . . ?
C9 C8 N1 C15 94.73(15) . . . . ?
C9 C8 N1 C1 -78.23(13) . . . . ?
C2 C1 N1 C15 88.47(14) . . . . ?
C2 C1 N1 C8 -98.04(13) . . . . ?
O2 C27 O3 C28 0.07(18) . . . . ?
C20 C27 O3 C28 179.04(11) . . . . ?

_refine_diff_density_max         0.220
_refine_diff_density_min         -0.205
_refine_diff_density_rms         0.039



